[1-(3-hydroxyanilino)-2-methylpropan-2-yl] acetate

C12H17NO3 — CID 174500848

IUPAC[1-(3-hydroxyanilino)-2-methylpropan-2-yl] acetate
SMILESCC(=O)OC(C)(C)CNc1cccc(O)c1
InChIInChI=1S/C12H17NO3/c1-9(14)16-12(2,3)8-13-10-5-4-6-11(15)7-10/h4-7,13,15H,8H2,1-3H3
InChIKeyQPSIWPFIDYJGFR-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.15
Rot. Bonds4

About [1-(3-hydroxyanilino)-2-methylpropan-2-yl] acetate

[1-(3-hydroxyanilino)-2-methylpropan-2-yl] acetate (PubChem CID 174500848) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is [1-(3-hydroxyanilino)-2-methylpropan-2-yl] acetate.

Molecular Properties

Compound Name[1-(3-hydroxyanilino)-2-methylpropan-2-yl] acetate
PubChem CID174500848
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name[1-(3-hydroxyanilino)-2-methylpropan-2-yl] acetate
SMILESCC(=O)OC(C)(C)CNc1cccc(O)c1
InChIInChI=1S/C12H17NO3/c1-9(14)16-12(2,3)8-13-10-5-4-6-11(15)7-10/h4-7,13,15H,8H2,1-3H3
InChIKeyQPSIWPFIDYJGFR-UHFFFAOYSA-N
XLogP2.15
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-(3-hydroxyanilino)acetate
CID 68777039
ethyl 2-(3-hydroxyanilino)acetate
CID 22630327
3-(ethylamino)phenol
CID 578991
3-(3-methylbut-2-enylamino)phenol
CID 130657504
diethyl 2-[(3-hydroxyanilino)methyl]propanedioate
CID 71327105
N-[2-[(3-hydroxyanilino)methyl]phenyl]acetamide
CID 66385038
2-(3-hydroxyanilino)acetohydrazide
CID 132888164
3-[2-(2-methoxyethoxy)ethylamino]phenol
CID 3022408
[2-methyl-1-(2-phenylethylamino)propan-2-yl] acetate
CID 150377351
1-tert-butyl-1-ethyl-3-(3-hydroxyphenyl)urea
CID 108895856
tert-butyl N-[3-(2,2-dimethylpropylamino)phenyl]carbamate
CID 107239782
methyl 2-[(3-hydroxyphenyl)carbamoylamino]acetate
CID 108895907

Frequently Asked Questions

What is the IUPAC name of [1-(3-hydroxyanilino)-2-methylpropan-2-yl] acetate?
The IUPAC name of [1-(3-hydroxyanilino)-2-methylpropan-2-yl] acetate (CID 174500848) is [1-(3-hydroxyanilino)-2-methylpropan-2-yl] acetate.
What is the SMILES notation for [1-(3-hydroxyanilino)-2-methylpropan-2-yl] acetate?
The canonical SMILES for [1-(3-hydroxyanilino)-2-methylpropan-2-yl] acetate is CC(=O)OC(C)(C)CNc1cccc(O)c1.
What is the InChIKey of [1-(3-hydroxyanilino)-2-methylpropan-2-yl] acetate?
The InChIKey is QPSIWPFIDYJGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-9(14)16-12(2,3)8-13-10-5-4-6-11(15)7-10/h4-7,13,15H,8H2,1-3H3.
What are the key properties of [1-(3-hydroxyanilino)-2-methylpropan-2-yl] acetate?
[1-(3-hydroxyanilino)-2-methylpropan-2-yl] acetate has a molecular weight of 223.27 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-hydroxyanilino)-2-methylpropan-2-yl] acetate is sourced from PubChem (CID 174500848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).